| SpectraBase Compound ID | FY2ASIJCT6r |
|---|---|
| InChI | InChI=1S/C7H8Cl6O3/c8-6(9,10)4(15)1-3(14)2-5(16)7(11,12)13/h4-5,15-16H,1-2H2 |
| InChIKey | OOHSANVRWZOWHG-UHFFFAOYSA-N |
| Mol Weight | 352.9 g/mol |
| Molecular Formula | C7H8Cl6O3 |
| Exact Mass | 349.86046 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7T0Co6OGfV3 |
|---|---|
| Name | 2,6-Dihydroxy-1,1,1,7,7,7-hexachloro-4-heptanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.860460315 u |
| Formula | C7H8Cl6O3 |
| InChI | InChI=1S/C7H8Cl6O3/c8-6(9,10)4(15)1-3(14)2-5(16)7(11,12)13/h4-5,15-16H,1-2H2 |
| InChIKey | OOHSANVRWZOWHG-UHFFFAOYSA-N |
| SMILES | OC(CC(CC(C(Cl)(Cl)Cl)O)=O)C(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.822487 |